3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoic acid CAS Name: 3-methyl-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoic acid Traditional Name: 3-methyl-2-[(4-nitrobenzyl)oxycarbonylamino]butyric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-8(2)11(12(16)17)14-13(18)21-7-9-3-5-10(6-4-9)15(19)20/h3-6,8,11H,7H2,1-2H3,(H,14,18)(H,16,17)